The atomic structure of lead-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} by using neutron total scattering analysis
- Department of Physics Education and Research Center for Dielectrics and Advanced Matter Physics, Pusan National University, Busan 609-735 (Korea, Republic of)
- Department of Physics, Pusan National University, Busan 609-735 (Korea, Republic of)
We conducted neutron total scattering measurements on lead-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-0.5(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} (BZT-0.5BCT) ceramic at 300 K and 150 K, and studied both long-range and local structures near the morphotropic phase boundary. Despite the long-range phase transition from tetragonal to rhombohedral structures, we found that local atomic structure of BZT-0.5BCT barely changes between 300 K and 150 K. To incorporate both long-range and local structures in a consistent way, we performed reverse Monte Carlo modeling. In BZT-0.5BCT, we found that the Ca substitution on Ba sites causes little impact on the local displacement of Ti ion but enhances octahedral tilting of ZrO{sub 6}, resulting in nonuniform lattice distortion.
- OSTI ID:
- 22089593
- Journal Information:
- Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 24 Vol. 101; ISSN APPLAB; ISSN 0003-6951
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BARIUM COMPOUNDS
CALCIUM COMPOUNDS
CERAMICS
MONTE CARLO METHOD
NEUTRON DIFFRACTION
NEUTRONS
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PIEZOELECTRICITY
SIMULATION
SOLIDS
TITANATES
TITANIUM COMPOUNDS
TITANIUM IONS
TRIGONAL LATTICES
ZIRCONIUM COMPOUNDS